Sugi Predict

Sugi Predict / Compounds / SCHEMBL6742522

SCHEMBL6742522

SCHEMBL6742522

CCOC(=O)/C=C/c1c(OC(F)F)cccc1[C@@H](C)OC[C@H]1CO1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 1/20 0.39
▸ GAA P10253 2/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ ALDH1A1 P00352 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ TSHR P16473 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ HSD17B1 P14061 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ HSD17B2 P37059 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA7 P43166 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6796217 1.00 MGLL (0.39) MGLLGAAL3MBTL1ALDH1A1MEN1
SCHEMBL6794017 0.92 MGLL (0.40) MGLLL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL6741955 0.92 MGLL (0.40) MGLLL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL6741959 0.90 MGLL (0.41) MGLLL3MBTL1ALDH1A1KDM4ECYP1A2
SCHEMBL13264010 0.90 MGLL (0.41) MGLLL3MBTL1ALDH1A1KDM4ECYP1A2
SCHEMBL6741139 0.89 CYP1A2 (0.42) MGLLL3MBTL1ALDH1A1KDM4ECYP1A2
SCHEMBL2473950 0.87 MGLL (0.43) MGLLL3MBTL1ALDH1A1CYP1A2CYP3A4
SCHEMBL10164599 0.87 MGLL (0.43) MGLLL3MBTL1ALDH1A1CYP1A2CYP3A4
SCHEMBL2480029 0.86 MGLL (0.41) MGLLL3MBTL1KMT2ACYP1A2CYP3A4
SCHEMBL10164616 0.86 MGLL (0.41) MGLLL3MBTL1KMT2ACYP1A2CYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8183272-B2 Indanyl compounds DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-05-22 — — US disclosed
US-8173631-B2 Cyclic amine compounds DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-05-08 — — US disclosed
US-8173631-B2 Cyclic amine compounds DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-05-08 — — US disclosed
US-20110319468-A1 CYCLIC AMINE COMPOUNDS DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-12-29 — — US disclosed
US-20110319468-A1 CYCLIC AMINE COMPOUNDS DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-12-29 — — US disclosed
US-20110319359-A1 INDANYL COMPOUNDS DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-12-29 — — US disclosed
EP-2374788-A1 INDANYL COMPOUNDS Daiichi Sankyo Company, Limited (JP) 2011-10-12 — — EP disclosed
WO-2010074089-A1 INDANYL COMPOUNDS 第一三共株式会社 (JP) 2010-07-01 — — WO disclosed
WO-2010074088-A1 CYCLIC AMINE COMPOUNDS 第一三共株式会社 (JP) 2010-07-01 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110319468-A1 CYCLIC AMINE COMPOUNDS RYR2, CASR, RYR1 MGLL 2051/4885GAA 2031/4885L3MBTL1 4719/4885
US-20110319359-A1 INDANYL COMPOUNDS RYR2, ORAI1, CASR MGLL 2501/4885GAA 2466/4885L3MBTL1 4401/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.